SCHEMBL837026

SCHEMBL837026

COc1ccc(C(=O)C(C)NC(=O)OC(C)(C)C)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.51
PPARA Q07869 1/20 0.51
SLC2A1 P11166 1/20 0.48
ALDH1A1 P00352 4/20 0.47
LMNA P02545 2/20 0.47
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
KDM4E B2RXH2 2/20 0.46
HPGD P15428 2/20 0.46
CA1 P00915 3/20 0.45
CA2 P00918 3/20 0.45
MAPT P10636 2/20 0.44
GLA P06280 1/20 0.44
GAA P10253 1/20 0.44
CYP1A2 P05177 1/20 0.44
ABCB1 P08183 1/20 0.43
CES2 O00748 1/20 0.43
CES1 P23141 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
ALOX15 P16050 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL15632156 1.00 PPARG (0.51) PPARGPPARASLC2A1ALDH1A1LMNA
SCHEMBL837027 1.00 PPARG (0.51) PPARGPPARASLC2A1ALDH1A1LMNA
SCHEMBL8383189 0.86 ELANE (0.48) PPARGPPARALMNAKDM4EHPGD
SCHEMBL27405399 0.85 MIF (0.46) PPARGPPARAKDM4EHPGDCA1
SCHEMBL27405397 0.85 MIF (0.46) PPARGPPARAKDM4EHPGDCA1
SCHEMBL18660861 0.85 PPARG (0.49) PPARGPPARAALDH1A1SMN1; SMN2KDM4E
SCHEMBL18660862 0.85 PPARG (0.49) PPARGPPARAALDH1A1SMN1; SMN2KDM4E
SCHEMBL24298843 0.84 HDAC1 (0.45) PPARGPPARAALDH1A1LMNAHTT
SCHEMBL2762834 0.84 TRPA1 (0.52) PPARGPPARAALDH1A1LMNASMN1; SMN2
SCHEMBL21180491 0.84 TRPA1 (0.48) PPARGPPARAALDH1A1KDM4EHPGD

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117247337-A Method for asymmetrically synthesizing 1, 2-trans-amino alcohol and derivative thereof 凯特立斯(深圳)科技有限公司 2023-12-19 CN disclosed
US-20120252770-A1 Chemical Compounds 572 BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-10-04 US disclosed
EP-2102169-B1 INDAZOLYL AMIDE DERIVATIVES FOR THE TREATMENT OF GLUCOCORTICOID RECEPTOR MEDIATED DISORDERS ASTRAZENECA AB (SE) 2012-06-20 EP disclosed
US-8143290-B2 Chemical compounds 572 ASTRAZENECA AB (SE) 2012-03-27 US disclosed
US-20110071194-A1 Chemical Compounds 572 BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2011-03-24 US disclosed
US-20100197644-A1 Chemical Compounds 572 BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2010-08-05 US disclosed
US-7728030-B2 Chemical compounds 572 ASTRAZENECA AB (SE) 2010-06-01 US disclosed
US-20080214641-A1 Chemical compounds 572 BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2008-09-04 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080214641-A1 Chemical compounds 572 ABCG2, ABCB1, CYP11B2 PPARG 288/4885PPARA 885/4885SLC2A1 2951/4885
US-20100197644-A1 Chemical Compounds 572 ABCG2, ABCB1, CYP11B2 PPARG 288/4885PPARA 885/4885SLC2A1 2951/4885
US-20120252770-A1 Chemical Compounds 572 ABCG2, ABCB1, CYP11B2 PPARG 288/4885PPARA 885/4885SLC2A1 2951/4885
US-20110071194-A1 Chemical Compounds 572 ABCG2, ABCB1, CYP11B2 PPARG 288/4885PPARA 885/4885SLC2A1 2951/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.